5-[4-(alpha-Hydroxy-alpha-phenylbenzyl)piperidino]-4'-methoxyvalerophenone hydrochloride

HCID 21552946
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Basic information

Standard SMILES
COc1ccc(C(=O)CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIKey
CEAOQFXOFCDBSD-UHFFFAOYSA-N
Molecular formula
C30H36ClNO3
Average molar mass
494.1 g/mol
Monoisotopic mass
493.2383717

Names & identifiers

Preferred name
5-[4-(alpha-Hydroxy-alpha-phenylbenzyl)piperidino]-4'-methoxyvalerophenone hydrochloride
IUPAC
5-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methoxyphenyl)pentan-1-one;hydrochloride

Names & synonyms

SCHEMBL11866868CEAOQFXOFCDBSD-UHFFFAOYSA-N5-[4-(alpha-hydroxy-alpha-phenylbenzyl)piperidino]-4'-methoxyvalerophenone hydrochloride

Database identifiers

PubChem CID
21552946

Properties

Computed structural properties

Topological polar surface area
49.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
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Compound notes

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